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canSAR1621786
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H](CNCC(=O)[C@H](CC(=O)O)NC(=O)c1nc[nH]c1C(=O)N[C@H](CN)CC(C)C)NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)C(=O)O.Cl
    InChI
    InChI=1S/C30H46N10O9.ClH/c1-14(2)6-17(9-31)38-27(45)24-25(36-13-35-24)29(47)40-19(8-21(42)43)20(41)11-32-10-18(7-15(3)4)39-28(46)23-22(33-12-34-23)26(44)37-16(5)30(48)49;/h12-19,32H,6-11,31H2,1-5H3,(H,33,34)(H,35,36)(H,37,44)(H,38,45)(H,39,46)(H,40,47)(H,42,43)(H,48,49);1H/t16-,17-,18-,19-;/m0./s1
    MOLECULAR FORMULA
    C30H47ClN10O9
    CROSS REFERENCES
    1621786 logo

    canSAR1621786

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 726.32
    AlogP -0.56
    HBond donors 11
    HBond acceptors 19
    Atoms 97
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1621786.